1-(cyclopropylmethyl)-2-methyl-3-[4-(N-methylanilino)butyl]guanidine

C17H28N4 — CID 111867904

IUPAC1-(cyclopropylmethyl)-2-methyl-3-[4-(N-methylanilino)butyl]guanidine
SMILESC/N=C(/NCCCCN(C)c1ccccc1)NCC1CC1
InChIInChI=1S/C17H28N4/c1-18-17(20-14-15-10-11-15)19-12-6-7-13-21(2)16-8-4-3-5-9-16/h3-5,8-9,15H,6-7,10-14H2,1-2H3,(H2,18,19,20)
InChIKeyCFFLHKQDSXZETF-UHFFFAOYSA-N
MW288.44 g/mol
LogP2.48
Rot. Bonds8

About 1-(cyclopropylmethyl)-2-methyl-3-[4-(N-methylanilino)butyl]guanidine

1-(cyclopropylmethyl)-2-methyl-3-[4-(N-methylanilino)butyl]guanidine (PubChem CID 111867904) has the molecular formula C17H28N4 and a molecular weight of 288.44 g/mol. Its IUPAC name is 1-(cyclopropylmethyl)-2-methyl-3-[4-(N-methylanilino)butyl]guanidine.

Molecular Properties

Compound Name1-(cyclopropylmethyl)-2-methyl-3-[4-(N-methylanilino)butyl]guanidine
PubChem CID111867904
Molecular FormulaC17H28N4
Molecular Weight288.44 g/mol
Exact Mass288.23
IUPAC Name1-(cyclopropylmethyl)-2-methyl-3-[4-(N-methylanilino)butyl]guanidine
SMILESC/N=C(/NCCCCN(C)c1ccccc1)NCC1CC1
InChIInChI=1S/C17H28N4/c1-18-17(20-14-15-10-11-15)19-12-6-7-13-21(2)16-8-4-3-5-9-16/h3-5,8-9,15H,6-7,10-14H2,1-2H3,(H2,18,19,20)
InChIKeyCFFLHKQDSXZETF-UHFFFAOYSA-N
XLogP2.48
TPSA39.66 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.44
LogP ≤ 52.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

2-methyl-1-[3-(N-methylanilino)propyl]-3-(oxolan-2-ylmethyl)guanidine
CID 111137911
1-[(2-tert-butyloxan-3-yl)methyl]-2-methyl-3-[4-(N-methylanilino)butyl]guanidine;hydroiodide
CID 111623661
2-methyl-1-[4-(N-methylanilino)butyl]-3-(4-methylsulfanylbutyl)guanidine;hydroiodide
CID 111627777
2-[[(cyclopropylmethylamino)-[3-(N-methylanilino)propylamino]methylidene]amino]-N,N-dimethylacetamide;hydroiodide
CID 111364292
1-[3-[benzyl(methyl)amino]propyl]-3-(cyclopropylmethyl)-2-methylguanidine;hydroiodide
CID 111870458
1-(cyclopropylmethyl)-2-methyl-3-(5-phenylpentyl)guanidine
CID 111868598
1-(cyclopropylmethyl)-3-[7-(dimethylamino)heptyl]-2-methylguanidine;hydroiodide
CID 111869695
1-tert-butyl-2-methyl-3-[3-(N-methylanilino)propyl]guanidine
CID 110965468
N-tert-butyl-2-[[N'-methyl-N-[4-(N-methylanilino)butyl]carbamimidoyl]amino]acetamide
CID 111382923
1-(2-ethoxyethyl)-2-methyl-3-[3-(N-methylanilino)propyl]guanidine
CID 111894995
1-[2-(4-methoxyphenyl)ethyl]-2-methyl-3-[4-(N-methylanilino)butyl]guanidine;hydroiodide
CID 111170884
2-methyl-1-[2-(N-methylanilino)ethyl]-3-[[1-(trifluoromethylsulfonyl)piperidin-4-yl]methyl]guanidine;hydroiodide
CID 111559473

Frequently Asked Questions

What is the IUPAC name of 1-(cyclopropylmethyl)-2-methyl-3-[4-(N-methylanilino)butyl]guanidine?
The IUPAC name of 1-(cyclopropylmethyl)-2-methyl-3-[4-(N-methylanilino)butyl]guanidine (CID 111867904) is 1-(cyclopropylmethyl)-2-methyl-3-[4-(N-methylanilino)butyl]guanidine.
What is the SMILES notation for 1-(cyclopropylmethyl)-2-methyl-3-[4-(N-methylanilino)butyl]guanidine?
The canonical SMILES for 1-(cyclopropylmethyl)-2-methyl-3-[4-(N-methylanilino)butyl]guanidine is C/N=C(/NCCCCN(C)c1ccccc1)NCC1CC1.
What is the InChIKey of 1-(cyclopropylmethyl)-2-methyl-3-[4-(N-methylanilino)butyl]guanidine?
The InChIKey is CFFLHKQDSXZETF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N4/c1-18-17(20-14-15-10-11-15)19-12-6-7-13-21(2)16-8-4-3-5-9-16/h3-5,8-9,15H,6-7,10-14H2,1-2H3,(H2,18,19,20).
What are the key properties of 1-(cyclopropylmethyl)-2-methyl-3-[4-(N-methylanilino)butyl]guanidine?
1-(cyclopropylmethyl)-2-methyl-3-[4-(N-methylanilino)butyl]guanidine has a molecular weight of 288.44 g/mol, XLogP of 2.48, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclopropylmethyl)-2-methyl-3-[4-(N-methylanilino)butyl]guanidine is sourced from PubChem (CID 111867904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).